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Chemistry

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Also known as: 188968-51-6, Emd 121974, Emd-121974, 2-[(2s,5r,8s,11s)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid, Emd-12192, Emd121974
Molecular Formula
C27H40N8O7
Molecular Weight
588.7  g/mol
InChI Key
AMLYAMJWYAIXIA-VWNVYAMZSA-N
FDA UNII
4EDF46E4GI

Cilengitide
Cilengitide has been used in trials studying the treatment of Sarcoma, Gliomas, Lymphoma, Leukemia, and Lung Cancer, among others.
1 2D Structure

Cilengitide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid
2.1.2 InChI
InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1
2.1.3 InChI Key
AMLYAMJWYAIXIA-VWNVYAMZSA-N
2.1.4 Canonical SMILES
CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N
2.1.5 Isomeric SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N
2.2 Other Identifiers
2.2.1 UNII
4EDF46E4GI
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Cyclic-arg-gly-asp-d-phe(n-methyl)val

2. Cyclo(arginyl-glycyl-formylaspartyl-n-methylvalyl)

3. Cyclo(rgdf-n(me)v)

4. Emd 121974

5. Emd121974

2.3.2 Depositor-Supplied Synonyms

1. 188968-51-6

2. Emd 121974

3. Emd-121974

4. 2-[(2s,5r,8s,11s)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic Acid

5. Emd-12192

6. Emd121974

7. Cyclo(l-arginylglycyl-l-alpha-aspartyl-d-phenylalanyl-n-methyl-l-valyl)

8. 4edf46e4gi

9. Chembl429876

10. 2-((2s,5r,8s,11s)-5-benzyl-11-(3-guanidinopropyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic Acid

11. Cyclo(l-arginylglycyl-l-a-aspartyl-d-phenylalanyl-n-methyl-l-valyl)

12. Cilengitide [usan:inn]

13. Unii-4edf46e4gi

14. Cyclo-(arg-gly-asp-dphe-nmeval)

15. Nsc-707544

16. C(rgdfmev)

17. Cyclic-arg-gly-asp-d-phe(n-methyl)val

18. Cilengitide [mi]

19. Cyclo(l-arginylglycyl-l-aspartyl-d-phenylalanyl-n-methyl-l-valyl)

20. Cilengitide [inn]

21. Cilengitide (usan/inn)

22. Cilengitide [usan]

23. Cilengitide [mart.]

24. Cyclo(arginyl-glycyl-formylaspartyl-n-methylvalyl)

25. Schembl34082

26. Cilengitide [who-dd]

27. Gtpl6597

28. Dtxsid9044035

29. Chebi:177833

30. Ex-a1775

31. Zinc3952216

32. Cilengitide Trifluoroacetic Acid Salt

33. Bdbm50235980

34. Nsc774651

35. S6387

36. Akos024257893

37. Cs-1211

38. Cyclo(arg-gly-asp-d-phe-[n-me]val)

39. Db11890

40. Nsc-774651

41. Ncgc00386242-02

42. Ncgc00386242-04

43. Ac-35857

44. As-72195

45. Hy-16141

46. Sw220134-1

47. D03497

48. 968c516

49. A924615

50. Q1091921

51. Cyclo(l-arginylglycyl-l-.alpha.-aspartyl-d-phenylalanyl-n-methyl-l-valyl)

52. [(2s,5r,8s,11s)-5-benzyl-11-(3-guanidino-propyl)-8-isopropyl-7-methyl-3,6,9,12,15-pentaoxo-1,4,7,10,13pentaaza-cyclopentadec-2-yl]-acetic Acid

53. 2-[(2s,5r,8s,11s)-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-5-(phenylmethyl)-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic Acid

54. 2-[(2s,5r,8s,11s)-5-benzyl-11-(3-carbamimidamidopropyl)-7-methyl-3,6,9,12,15-pentaoxo-8-(propan-2-yl)-1,4,7,10,13-pentaazacyclopentadecan-2-yl]acetic Acid

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 588.7 g/mol
Molecular Formula C27H40N8O7
XLogP3-1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area238
Heavy Atom Count42
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of high-grade glioma


ABOUT THIS PAGE

Cilengitide Manufacturers

A Cilengitide manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Cilengitide, including repackagers and relabelers. The FDA regulates Cilengitide manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Cilengitide API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Cilengitide manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Cilengitide Suppliers

A Cilengitide supplier is an individual or a company that provides Cilengitide active pharmaceutical ingredient (API) or Cilengitide finished formulations upon request. The Cilengitide suppliers may include Cilengitide API manufacturers, exporters, distributors and traders.

click here to find a list of Cilengitide suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Cilengitide USDMF

A Cilengitide DMF (Drug Master File) is a document detailing the whole manufacturing process of Cilengitide active pharmaceutical ingredient (API) in detail. Different forms of Cilengitide DMFs exist exist since differing nations have different regulations, such as Cilengitide USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Cilengitide DMF submitted to regulatory agencies in the US is known as a USDMF. Cilengitide USDMF includes data on Cilengitide's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Cilengitide USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Cilengitide suppliers with USDMF on PharmaCompass.

Cilengitide GMP

Cilengitide Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Cilengitide GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Cilengitide GMP manufacturer or Cilengitide GMP API supplier for your needs.

Cilengitide CoA

A Cilengitide CoA (Certificate of Analysis) is a formal document that attests to Cilengitide's compliance with Cilengitide specifications and serves as a tool for batch-level quality control.

Cilengitide CoA mostly includes findings from lab analyses of a specific batch. For each Cilengitide CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Cilengitide may be tested according to a variety of international standards, such as European Pharmacopoeia (Cilengitide EP), Cilengitide JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Cilengitide USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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